CID 6929

2,6-di-tert-butyl-4-(hydroxymethyl)phenol

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO

InChI

InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3

InChIKey

HNURKXXMYARGAY-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-(hydroxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 9
References: 6758
Patents: 236.17763 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.184906	156.6
[M+Na]+	259.166848	164.4
[M-H]-	235.170354	158.3
[M+NH4]+	254.211453	174.4
[M+K]+	275.140788	161.6
[M+H-H2O]+	219.174890	152.4
[M+HCOO]-	281.175831	173.6
[M+CH3COO]-	295.191481	191.4
[M+Na-2H]-	257.152296	160.4
[M]+	236.17708142	158.0
[M]-	236.17817858	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe